1-[(3-bromo-2-methylcyclopentyl)methyl]-2-methylbenzene

C14H19Br — CID 64909251

IUPAC1-[(3-bromo-2-methylcyclopentyl)methyl]-2-methylbenzene
SMILESCc1ccccc1CC1CCC(Br)C1C
InChIInChI=1S/C14H19Br/c1-10-5-3-4-6-12(10)9-13-7-8-14(15)11(13)2/h3-6,11,13-14H,7-9H2,1-2H3
InChIKeyFMAADWNKNBUDIE-UHFFFAOYSA-N
MW267.21 g/mol
LogP4.35
Rot. Bonds2

About 1-[(3-bromo-2-methylcyclopentyl)methyl]-2-methylbenzene

1-[(3-bromo-2-methylcyclopentyl)methyl]-2-methylbenzene (PubChem CID 64909251) has the molecular formula C14H19Br and a molecular weight of 267.21 g/mol. Its IUPAC name is 1-[(3-bromo-2-methylcyclopentyl)methyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[(3-bromo-2-methylcyclopentyl)methyl]-2-methylbenzene
PubChem CID64909251
Molecular FormulaC14H19Br
Molecular Weight267.21 g/mol
Exact Mass266.07
IUPAC Name1-[(3-bromo-2-methylcyclopentyl)methyl]-2-methylbenzene
SMILESCc1ccccc1CC1CCC(Br)C1C
InChIInChI=1S/C14H19Br/c1-10-5-3-4-6-12(10)9-13-7-8-14(15)11(13)2/h3-6,11,13-14H,7-9H2,1-2H3
InChIKeyFMAADWNKNBUDIE-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[(3-bromo-2-methylcyclopentyl)methyl]naphthalene
CID 64907962
1-methyl-2-[(2-methylcyclobutyl)methyl]benzene
CID 163743067
N,2-dimethyl-3-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 64907888
(3-bromo-2-methylcyclopentyl)methylbenzene
CID 64907307
1-methyl-2-[(2-methylphenyl)methyl]cycloheptane
CID 145268468
N-[[2-[(2-methylphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017088
2-[(3-bromo-2-methylcyclopentyl)methyl]-1-chloro-3-fluorobenzene
CID 64909046
3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol
CID 64907505
2-[(3-bromo-2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene
CID 64908394
6-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 63461795
N-ethyl-2-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 61381447
N-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033027

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2-methylcyclopentyl)methyl]-2-methylbenzene?
The IUPAC name of 1-[(3-bromo-2-methylcyclopentyl)methyl]-2-methylbenzene (CID 64909251) is 1-[(3-bromo-2-methylcyclopentyl)methyl]-2-methylbenzene.
What is the SMILES notation for 1-[(3-bromo-2-methylcyclopentyl)methyl]-2-methylbenzene?
The canonical SMILES for 1-[(3-bromo-2-methylcyclopentyl)methyl]-2-methylbenzene is Cc1ccccc1CC1CCC(Br)C1C.
What is the InChIKey of 1-[(3-bromo-2-methylcyclopentyl)methyl]-2-methylbenzene?
The InChIKey is FMAADWNKNBUDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br/c1-10-5-3-4-6-12(10)9-13-7-8-14(15)11(13)2/h3-6,11,13-14H,7-9H2,1-2H3.
What are the key properties of 1-[(3-bromo-2-methylcyclopentyl)methyl]-2-methylbenzene?
1-[(3-bromo-2-methylcyclopentyl)methyl]-2-methylbenzene has a molecular weight of 267.21 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2-methylcyclopentyl)methyl]-2-methylbenzene is sourced from PubChem (CID 64909251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).